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PUBCHEM-ZINC05735709

 MMsINC code: MMs03365627
Type: Neutral
Formula: C15H26O
SMILES:   O=C1C2CCCC(C)C2(CC(C1)C(C)C)C
InChI:   InChI=1/C15H26O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h10-13H,5-9H2,1-4H3/t11-,12-,13-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=62.4925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.372 g/mol  logS: -4.97482  SlogP: 4.064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241647  Sterimol/B1: 2.42385  Sterimol/B2: 3.9837  Sterimol/B3: 4.65851
  Sterimol/B4: 5.9715  Sterimol/L: 12.1584 
 
 Surface and Volume Properties
  Accessible surface: 429.274  Positive charged surface: 307.094  Negative charged surface: 122.18  Volume: 249.875
  Hydrophobic surface: 330.823  Hydrophilic surface: 98.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.